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Crystal structure of sodium (1S)-d-mannit-1-ylsulfonate
The title salt, Na(+)·C(6)H(13)O(9)S(−) [systematic name: sodium (1S,2S,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexane-1-sulfonate], is formed by reaction of d-mannose with sodium bisulfite (sodium hydrogen sulfite) in water. The anion has an open-chain structure with the S atom and the C atoms of the c...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6127687/ https://www.ncbi.nlm.nih.gov/pubmed/30225124 http://dx.doi.org/10.1107/S2056989018011556 |
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author | Haines, Alan H. Hughes, David L. |
author_facet | Haines, Alan H. Hughes, David L. |
author_sort | Haines, Alan H. |
collection | PubMed |
description | The title salt, Na(+)·C(6)H(13)O(9)S(−) [systematic name: sodium (1S,2S,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexane-1-sulfonate], is formed by reaction of d-mannose with sodium bisulfite (sodium hydrogen sulfite) in water. The anion has an open-chain structure with the S atom and the C atoms of the carbohydrate chain forming an essentially planar zigzag chain in which the absolute values of the torsion angles lie between 173.6 (2) and 179.9 (3)°. The sodium cations are penta-coordinated by O atoms, with one link to a carbohydrate O atom and four to O atoms of sulfonate residues in separate anions, thus creating a three-dimensional network. The carbohydrate anions are arranged in a head (–SO(3) (−)) to head (–SO(3) (−)) arrangement, thereby forming two parallel sheets linked through coordination to sodium ions, with each sheet containing intermolecular hydrogen bonds between the anionic residues. Unusually, the double sheets are not connected to neighbouring sets of double sheets, either by ion coordination or intermolecular hydrogen bonding. |
format | Online Article Text |
id | pubmed-6127687 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-61276872018-09-17 Crystal structure of sodium (1S)-d-mannit-1-ylsulfonate Haines, Alan H. Hughes, David L. Acta Crystallogr E Crystallogr Commun Research Communications The title salt, Na(+)·C(6)H(13)O(9)S(−) [systematic name: sodium (1S,2S,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexane-1-sulfonate], is formed by reaction of d-mannose with sodium bisulfite (sodium hydrogen sulfite) in water. The anion has an open-chain structure with the S atom and the C atoms of the carbohydrate chain forming an essentially planar zigzag chain in which the absolute values of the torsion angles lie between 173.6 (2) and 179.9 (3)°. The sodium cations are penta-coordinated by O atoms, with one link to a carbohydrate O atom and four to O atoms of sulfonate residues in separate anions, thus creating a three-dimensional network. The carbohydrate anions are arranged in a head (–SO(3) (−)) to head (–SO(3) (−)) arrangement, thereby forming two parallel sheets linked through coordination to sodium ions, with each sheet containing intermolecular hydrogen bonds between the anionic residues. Unusually, the double sheets are not connected to neighbouring sets of double sheets, either by ion coordination or intermolecular hydrogen bonding. International Union of Crystallography 2018-08-24 /pmc/articles/PMC6127687/ /pubmed/30225124 http://dx.doi.org/10.1107/S2056989018011556 Text en © Haines and Hughes 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Haines, Alan H. Hughes, David L. Crystal structure of sodium (1S)-d-mannit-1-ylsulfonate |
title | Crystal structure of sodium (1S)-d-mannit-1-ylsulfonate |
title_full | Crystal structure of sodium (1S)-d-mannit-1-ylsulfonate |
title_fullStr | Crystal structure of sodium (1S)-d-mannit-1-ylsulfonate |
title_full_unstemmed | Crystal structure of sodium (1S)-d-mannit-1-ylsulfonate |
title_short | Crystal structure of sodium (1S)-d-mannit-1-ylsulfonate |
title_sort | crystal structure of sodium (1s)-d-mannit-1-ylsulfonate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6127687/ https://www.ncbi.nlm.nih.gov/pubmed/30225124 http://dx.doi.org/10.1107/S2056989018011556 |
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